Li2MgNi3O8

Li2MgNi3O8 is a metastable semiconducting lithium transition-metal oxide used in advanced materials research for energy storage applications.

Crystal structure of Li2MgNi3O8
Ground-state structure · Materials Project
Overview

About Li2MgNi3O8

Li2MgNi3O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration within the broader family of lithium-based oxide materials, offering unique structural insights for researchers investigating ion-conducting frameworks.

Its significance lies in the substitution of magnesium into the transition-metal lattice, which influences the local coordination environment and potential electrochemical performance. This compound is primarily studied in the context of high-energy density storage systems where structural stability and electronic properties are critical for next-generation performance.

At a glance

Key Properties

Cross-validated computational properties for Li2MgNi3O8, aggregated across 3 databases.

Band Gap

0.85 eV
Range across DFT structures

Energy Above Hull

0.065 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li2MgNi3O8 is used.

Battery materials researchSolid-state ionicsElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about Li2MgNi3O8, answered from cross-validated data.

What is Li2MgNi3O8?

Li2MgNi3O8 is a metastable semiconducting lithium transition-metal oxide used in advanced materials research for energy storage applications.

More questions
What is Li2MgNi3O8 used for?
Li2MgNi3O8 is used in battery materials research, solid-state ionics, and electrochemical energy storage development.
What is the band gap of Li2MgNi3O8?
Li2MgNi3O8 has a DFT-computed band gap of 0.85 eV across 5 reported structures.
Is Li2MgNi3O8 a metal, semiconductor, or insulator?
With a band gap up to 0.85 eV it is a semiconductor.
Is Li2MgNi3O8 thermodynamically stable?
Li2MgNi3O8 has a lowest energy above hull of 0.065 eV/atom (metastable).
How many polymorphs of Li2MgNi3O8 are known?
5 structures of Li2MgNi3O8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2MgNi3O8 contain?
Li2MgNi3O8 contains Li, Mg, Ni, and O (4 elements).
Where does the data for Li2MgNi3O8 come from?
Li2MgNi3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse class of layered lithium transition-metal oxides, Li2MgNi3O8 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiNiO2. While those common cathodes are widely utilized for their robust cycling capabilities, Li2MgNi3O8 serves as a focus for exploring metastable structural variations that deviate from the standard layered architectures found in commercially established battery chemistries.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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